N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide

C20H25NO4S — CID 1114580

IUPACN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3ccccc3)CCCC2)cc1OC
InChIInChI=1S/C20H25NO4S/c1-24-18-11-10-16(14-19(18)25-2)20(12-6-7-13-20)15-21-26(22,23)17-8-4-3-5-9-17/h3-5,8-11,14,21H,6-7,12-13,15H2,1-2H3
InChIKeyMKBVGVGHFWCRPZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.49
Rot. Bonds7

About N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide

N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide (PubChem CID 1114580) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide
PubChem CID1114580
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3ccccc3)CCCC2)cc1OC
InChIInChI=1S/C20H25NO4S/c1-24-18-11-10-16(14-19(18)25-2)20(12-6-7-13-20)15-21-26(22,23)17-8-4-3-5-9-17/h3-5,8-11,14,21H,6-7,12-13,15H2,1-2H3
InChIKeyMKBVGVGHFWCRPZ-UHFFFAOYSA-N
XLogP3.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269288
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 110416686
2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 113090921
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzenesulfonamide
CID 55477227
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
4-[[1-(2-methoxyphenyl)cyclopentyl]methylsulfamoyl]benzamide
CID 86829566
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
4-[(1-phenylcyclohexyl)methylsulfamoyl]benzamide
CID 46457755
2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
CID 119325911

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide (CID 1114580) is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide is COc1ccc(C2(CNS(=O)(=O)c3ccccc3)CCCC2)cc1OC.
What is the InChIKey of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is MKBVGVGHFWCRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-24-18-11-10-16(14-19(18)25-2)20(12-6-7-13-20)15-21-26(22,23)17-8-4-3-5-9-17/h3-5,8-11,14,21H,6-7,12-13,15H2,1-2H3.
What are the key properties of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide?
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 1114580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).